3-(1-adamantylcarbamoylamino)-N-(2-morpholin-4-ylethyl)benzamide

C24H34N4O3 — CID 46888844

IUPAC3-(1-adamantylcarbamoylamino)-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(Nc1cccc(C(=O)NCCN2CCOCC2)c1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H34N4O3/c29-22(25-4-5-28-6-8-31-9-7-28)20-2-1-3-21(13-20)26-23(30)27-24-14-17-10-18(15-24)12-19(11-17)16-24/h1-3,13,17-19H,4-12,14-16H2,(H,25,29)(H2,26,27,30)
InChIKeySJNAYVPVMPRKLT-UHFFFAOYSA-N
MW426.56 g/mol
LogP2.84
Rot. Bonds6

About 3-(1-adamantylcarbamoylamino)-N-(2-morpholin-4-ylethyl)benzamide

3-(1-adamantylcarbamoylamino)-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 46888844) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is 3-(1-adamantylcarbamoylamino)-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-(1-adamantylcarbamoylamino)-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID46888844
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name3-(1-adamantylcarbamoylamino)-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(Nc1cccc(C(=O)NCCN2CCOCC2)c1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H34N4O3/c29-22(25-4-5-28-6-8-31-9-7-28)20-2-1-3-21(13-20)26-23(30)27-24-14-17-10-18(15-24)12-19(11-17)16-24/h1-3,13,17-19H,4-12,14-16H2,(H,25,29)(H2,26,27,30)
InChIKeySJNAYVPVMPRKLT-UHFFFAOYSA-N
XLogP2.84
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantylcarbamoylamino)-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-(1-adamantylcarbamoylamino)-N-(2-morpholin-4-ylethyl)benzamide (CID 46888844) is 3-(1-adamantylcarbamoylamino)-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-(1-adamantylcarbamoylamino)-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-(1-adamantylcarbamoylamino)-N-(2-morpholin-4-ylethyl)benzamide is O=C(Nc1cccc(C(=O)NCCN2CCOCC2)c1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-(1-adamantylcarbamoylamino)-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is SJNAYVPVMPRKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c29-22(25-4-5-28-6-8-31-9-7-28)20-2-1-3-21(13-20)26-23(30)27-24-14-17-10-18(15-24)12-19(11-17)16-24/h1-3,13,17-19H,4-12,14-16H2,(H,25,29)(H2,26,27,30).
What are the key properties of 3-(1-adamantylcarbamoylamino)-N-(2-morpholin-4-ylethyl)benzamide?
3-(1-adamantylcarbamoylamino)-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 426.56 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantylcarbamoylamino)-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 46888844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).